2HDJ

Crystal structure of human type 3 3alpha-hydroxysteroid dehydrogenase in complex with NADP(H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-02-10
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	143.840, 143.840, 204.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.190 - 2.000
R-factor	0.196
Rwork	0.196
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xjb
RMSD bond length	0.006
RMSD bond angle	1.400
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.190		2.100
High resolution limit [Å]	2.000	6.000	2.000
Rmerge	0.074	0.021	0.421
Number of reflections	54795
<I/σ(I)>	17.89	55.6	4.3
Completeness [%]	99.1	99.6	98.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	24% PEG-4000, 0.1M MES, 0.2M (NH4)2Ac, 0.01M EDTA, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K